ChemSpider 2D Image | 2-Chloro-4-{[8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzenesulfonamide | C22H29ClN6O5S

2-Chloro-4-{[8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzenesulfonamide

  • Molecular FormulaC22H29ClN6O5S
  • Average mass525.021 Da
  • Monoisotopic mass524.160889 Da
  • ChemSpider ID9809790

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Chlor-4-{[8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzolsulfonamid [German] [ACD/IUPAC Name]
2-Chloro-4-{[8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzenesulfonamide [ACD/IUPAC Name]
2-Chloro-4-{[8-(cyclohexylamino)-1-éthyl-3-(2-hydroxyéthyl)-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl]méthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-chloro-4-[[8-(cyclohexylamino)-1-ethyl-1,2,3,6-tetrahydro-3-(2-hydroxyethyl)-2,6-dioxo-7H-purin-7-yl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 786.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.2±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.11
ACD/KOC (pH 5.5): 691.43
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.75
ACD/KOC (pH 7.4): 687.65
Polar Surface Area: 159 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

Click to predict properties on the Chemicalize site


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